2-[(3S)-5-methoxy-3-(3-methylbut-2-enyl)-2-oxidanylidene-1-(phenylmethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[(3S)-5-methoxy-3-(3-methylbut-2-enyl)-2-oxidanylidene-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-[(3S)-1-benzyl-5-methoxy-3-(3-methylbut-2-enyl)-2-oxo-indolin-3-yl]acetic acid CAS Name: 2-[(3S)-5-methoxy-3-(3-methylbut-2-enyl)-2-oxo-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-[(3S)-1-benzyl-5-methoxy-3-(3-methylbut-2-enyl)-2-oxoindol-3-yl]acetic acid Traditional Name: 2-[(3S)-1-benzyl-2-keto-5-methoxy-3-(3-methylbut-2-enyl)indolin-3-yl]acetic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1(C2=C(C=CC(=C2)OC)N(C1=O)CC3=CC=CC=C3)CC(=O)O)C

Isomeric SMILES

CC(=CC[C@@]1(C2=C(C=CC(=C2)OC)N(C1=O)CC3=CC=CC=C3)CC(=O)O)C

InChI

InChI=1S/C23H25NO4/c1-16(2)11-12-23(14-21(25)26)19-13-18(28-3)9-10-20(19)24(22(23)27)15-17-7-5-4-6-8-17/h4-11,13H,12,14-15H2,1-3H3,(H,25,26)/t23-/m0/s1